3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

C85H55N3S2 — CID 138481747

About 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (PubChem CID 138481747) has the molecular formula C85H55N3S2 and a molecular weight of 1182.53 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
• PubChem CID: 138481747
• Molecular Formula: C85H55N3S2
• Molecular Weight: 1182.53 g/mol
• Exact Mass: 1181.38
• IUPAC Name: 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
• SMILES: C=Cc1sc2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3)cc2c1/C=C\C
• InChI: InChI=1S/C85H55N3S2/c1-3-20-71-75-51-55(39-42-84(75)89-82(71)4-2)58-44-57(54-22-18-24-62(48-54)86-76-33-11-5-25-66(76)67-26-6-12-34-77(67)86)45-59(46-58)61-47-60(53-21-17-23-56(43-53)65-31-19-32-73-72-30-10-16-38-83(72)90-85(65)73)49-64(50-61)88-80-37-15-9-29-70(80)74-52-63(40-41-81(74)88)87-78-35-13-7-27-68(78)69-28-8-14-36-79(69)87/h3-52H,2H2,1H3/b20-3-
• InChIKey: CMHNXZHUBKIYAH-DYUKFFQPSA-N
• XLogP: 24.57
• TPSA: 14.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1182.53
LogP ≤ 5	24.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (CID 138481747) is 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is C=Cc1sc2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc(-c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3)cc2c1/C=C\C.

What is the InChIKey of 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

The InChIKey is CMHNXZHUBKIYAH-DYUKFFQPSA-N. The full InChI is InChI=1S/C85H55N3S2/c1-3-20-71-75-51-55(39-42-84(75)89-82(71)4-2)58-44-57(54-22-18-24-62(48-54)86-76-33-11-5-25-66(76)67-26-6-12-34-77(67)86)45-59(46-58)61-47-60(53-21-17-23-56(43-53)65-31-19-32-73-72-30-10-16-38-83(72)90-85(65)73)49-64(50-61)88-80-37-15-9-29-70(80)74-52-63(40-41-81(74)88)87-78-35-13-7-27-68(78)69-28-8-14-36-79(69)87/h3-52H,2H2,1H3/b20-3-.

What are the key properties of 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole has a molecular weight of 1182.53 g/mol, XLogP of 24.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 138481747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).